[gmx-users] How to convert a gromacs trajectory to Desmond trajectory format

Mark Abraham Mark.Abraham at anu.edu.au
Fri Oct 28 01:16:15 CEST 2011


On 28/10/2011 9:46 AM, Sanku M wrote:
> Hi,
>     I was looking for some way out for converting the trajectory-files 
> back and forth between two softwares between gromacs and Desmond.
> More specifically, if I run a simulation for a particular system using 
> gromacs 4.5.4 , how can I convert it into Desmond trajectory file format ?

There are so many interconversion tools that there must be some 
intermediate format that both can read and write. At worst, PDB.

Mark
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